| CAS Number | 1258650-04-2 |
| Catalog Number | AG01AAZ6(AGN-PC-0WOR4A) |
| Chemical Name | 2-(3-aminopropyl)-4-methyl-1,3-thiazole-5-carboxylic acid dihydrochloride |
| IUPAC Name | 2-(3-aminopropyl)-4-methyl-1,3-thiazole-5-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C8H12N2O2S.2ClH/c1-5-7(8(11)12)13-6(10-5)3-2-4-9;;/h2-4,9H2,1H3,(H,11,12);2*1H |
| InChI Key | NKKDJWHFHAIZTJ-UHFFFAOYSA-N |
| MDL Number | MFCD17977003 |
| Molecular Formula | C8H14Cl2N2O2S |
| Molecular Weight | 273.1800 |
| SMILES | Cl.Cl.CC1=C(C(O)=O)SC(CCCN)=N1 |
| Synonyms | 2-(3-aminopropyl)-4-methyl-1,3-thiazole-5-carboxylic acid dihydrochloride,
1258650-04-2,
AC1Q3A79,
AKOS026741505,
MCULE-8679720140,
NE16230,
EN300-69976,
Z1273089262,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.172g/mol |
| Monoisotopic Mass | 272.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number